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	Welcome to HPCVL -- Gamess FAQ
		To run Gamess on the SunFire 6800 cluster, you have to modify and execute a csh script, which can be downloaded here.
		Gamess has to be run via the GridEngine, which is a load-balancing program that submits batch jobs to low-load processors on the SunFire cluster.
		Gamess is a very portable program, and will run on IBM PC's (Windows), MacIntoshes, a variety of Unix platforms (including Linux), and your Palm Pilot (just kidding).
	www.hpcvl.org /faqs/gamess/gamess-faq.html (1335 words)

	GAMESS on Biowulf
		GAMESS) is a general ab initio quantum chemistry package.
		GAMESS is maintained by the members of the Gordon research group at Iowa State University.
		GAMESS on the Biowulf cluster is configured to be run as a batch job.
	biowulf.nih.gov /apps/gamess.html (201 words)

	GAMESS News Release
		A clearly unique feature of GAMESS is the effective fragment potential, or EFP, which was initially developed by Gordon and Jan Jensen, a former graduate student in Gordon’s group now at the University of Iowa, in collaboration with Dr. Walter Stevens and his group at the National Institute of Standards and Technology.
		GAMESS is used at well over 5,000 sites worldwide, ranging from high schools to research universities in the United States and abroad to government laboratories to the private sector.
		The GAMESS research is funded by grants from the Air Force Office of Scientific Research, by the Department of Defense and by a Department of Energy SciDAC, or Scientific Discovery through Advanced Computing, grant to Gordon, Ruedenberg, Schmidt and Jim Evans, an Ames Laboratory scientist and an ISU professor of mathematics.
	www.external.ameslab.gov /news/release/2002rel/02GAMESS.html (1065 words)

	PGI \| Resources \| GAMESS Tips & Techniques
		This guide was created for the GAMESS May 14, 2004 version and PGI Release 5.2-4 pgf90 and pgcc 32-bit compilers on an x86 system running Linux.
		GAMESS is a program for ab initio quantum chemistry.
		Prior to release 5.2-4, a bug in the vectorizer caused several of the GAMESS test cases to produce incorrect results.
	www.pgroup.com /resources/gamess/v051404_pgi52_32.htm (1220 words)

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		Armed with only the name of the group, GAMESS is able to exploit the molecular symmetry throughout almost all of the program, and thus save a great deal of computer time.
		GAMESS does not require that you know very much else about group theory, although a deeper knowledge (character tables, irreducible representations, term symbols, and so on) is useful when dealing with the more sophisticated wavefunctions.
		GAMESS will reorient the molecule into the 'master frame', and determine which atoms are the unique ones.
	www.chm.tu-dresden.de /edv/gamess96/input.txt (14303 words)

	Gordon Group/GAMESS Homepage
		GAMESS runs on nearly all computer systems, from large parallel systems to workstations to desktops to laptops, in scalar or parallel fashion.
		There is actually only one source code version of GAMESS (and its associated DDI library), for all Unix platforms, due to adherence to language standards, and selective compilation.
		However, GAMESS has support for both 32 and 64 bit Linux, so please read our supplemental page if you use Linux, instead of a more traditional form of Unix.
	www.msg.chem.iastate.edu /gamess/download.html (756 words)

	GAMESS
		GAMESS is available to users at HPC2N under the condition that published work include citation of the program (further details).
		GAMESS is maintained by the members of the Gordon research group at Iowa State University.
		GAMESS is a program for ab initio molecular quantum chemistry.
	www.hpc2n.umu.se /support/software/gamess.html (298 words)

	GAMESS User's Guide - Programmer's Reference
		Names of source code modules The source code for GAMESS is divided into a number of sections, called modules, each of which does related things, and is a handy size to edit.
		If a parallel linked version of GAMESS is run on only one node, it behaves as if it is a sequential version, and the full functionality of the program is available to you.
		GAMESS is constantly evolving as new code is incorporated into it.
	www.spec.org /hpc96/docs/RelatedPublications/gamess/prog.html (4452 words)

	GAMESS-UK Version 7.0
		The program is derived from the original GAMESS code, obtained from Michel Dupuis in 1981, then at the National Resource for Computational Chemistry, NRCC.
		GAMESS, which is a different program and should not be confused with GAMESS-UK (although you would certainly not be the first to make this mistake...).
		The package is derived from the original GAMESS code due to M.
	www.cfs.dl.ac.uk /gamess-uk/index.shtml (413 words)

	LRZ: GAMESS Quantum Chemistry Software
		GAMESS is an ab initio quantum mechanics program, which provides many methods for computation of the properties of molecular systems using standard quantum chemical methods, many of them updated for parallel execution.
		After execution of "module load gamess", the environment variable documentation points to a directory containing the GAMESS documentation as it comes with the source code:
		A: This is OK! You may find a detailed description of how GAMESS distributes its work and data around the processors in the documentation, Section 5 - Programmer's Reference (PROG.DOC): the first half processors computes (compute processes), the second half serves as data servers.
	www.lrz-muenchen.de /services/software/chemie/gamess (680 words)

	HPC - Software - Using GAMESS
		GAMESS is an ab initio quantum chemistry package maintained by the Gordon research group at Iowa State University.
		GAMESS must be run on the Linux Cluster compute nodes.
		And the number of processors GAMESS should use is specified on the end of the rungms command line.
	www.ncsu.edu /itd/hpc/Software/UsingGAMESS.php (247 words)

	Gordon Group/GAMESS Homepage
		The GAMESS documentation is lightly word-processed, so that it may be distributed in two formats.
		The GAMESS documentation consists of 6 chapters, as follows.
		Users of the program will be interested in the first four chapters, whereas the final two chapters are for people who are installing the program, or possibly interested in programming new options.
	www.msg.chem.iastate.edu /gamess/documentation.html (205 words)

	Gaming Day - casino and download gamess Tips and Strategies
		We tested the casino and download gamess over a standard cable modem connection, and play is lightening fast -- certainly close to being in a real casino -- so the action keeps moving and its hard to get bored.
		Step by step, bettors learn the complete basics of play: the odds and payoffs on the more than 150 available bets, how to bet the single, combination, and outside bets, the best ways to attack the single- and double-zero wheels, and the basic traits and peculiarities of the roulette game and layout.
		Their casino and download gamess takes a minimal amount of time, and it is free.
	www.online-poker.ws /casino_and_download_games.htm (427 words)

	MCSR
		GAMESS on Mimosa has been recently upgraded, the latest source code was obtained from Gordon research group at Iowa State and it has been built with the Portland Group compilers version 5.2 (pgi-5.2).
		Memory is allocated within GAMESS as words, where the size of word is 8 bytes.
		The GAMESS application is invoked using the script "rungms" that resides in /usr/local/apps/bin, if this location is not in your path, do add it to path.
	www.mcsr.olemiss.edu /appssubpage.php?pagename=gamess_2.inc&menu=vMBGAMESS.inc (501 words)

	GAMESS Programmer's Reference: Parallel section (Site not responding. Last check: )
		Running Distributed Data Parallel GAMESS It is difficult to write a description of the parallel nature of GAMESS that separates what is important for the installer of GAMESS or programmers of GAMESS from the end user.
		Efficient use of GAMESS requires an understanding of three critical issues: The first is the difference between two types of memory (replicated MEMORY and distributed MEMDDI) and how these relate to the physical memory of the computer which you are using.
		If you decide that a GAMESS job should be killed, use the Unix 'kill' command to take out either the compute or data server process on the master node, or one of the 'rsh' processes that have launched GAMESS onto the remote nodes.
	www.ensta.fr /~muguet/gamess/prog.par.html (4559 words)

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		One goal of this JSA was the development of a version of GAMESS which is vectorized for the IBM 3090's Vector Facility, which was accomplished by the fall of 1988.
		Everyone who uses the current version of GAMESS owes thanks to IBM in general, and Michel Dupuis of IBM Kingston in particular, for their sponsorship of the current version of GAMESS.
		Distribution Policy Copies of GAMESS will be provided at no charge, to anyone who can reach Mike Schmidt by E-mail, and is not working in a country such as People's Republic of China, North Korea, Cuba, and so on.
	www.csrd.uiuc.edu /benchmark/gamess/INTRO.DOC (3009 words)

	Gamess on grendel
		Gamess is an ab initio quantum chemistry package.
		This script, in fact, calls the standard gamess run-script, rungms, which uses the form rungms input_file.
		The.inp extension is required for gamess input files, i.e.
	www.chm.bris.ac.uk /compres/grendelgamess.html (149 words)

	National Partnership for Advanced Computational Infrastructure: Archives
		GAMESS was the first computational science web portal built using the SDSC GridPort Toolkit.
		The GAMESS portal was created to simplify the process of using the GAMESS program on sophisticated supercomputer architectures by enabling file transfer, input file creation, intelligent job building and submission, job history and tracking, and the ability to use the visualization component of the package (QMView) through the Web browser.
		The GAMESS portal is a project of the National Biomedical Computation Resource, NBCR, an NIH-NCRR funded project at SDSC, is building software and portals to conduct, catalyze, and enable biomedical research by harnessing advanced computational technology.
	www.npaci.edu /online/v6.4/gridport.gamess.html (663 words)

	PC GAMESS SCF Benchmark (Site not responding. Last check: )
		Namely, 12 or 20 bytes (needed by GAMESS to store both the integral value and its four indices) will be packed to 4.5 bytes in the best case.
		The integral computations in GAMESS are slower than the integral computations in Gaussian.
		GAMESS uses a relatively old code using Rys polynomials to calculate the integrals.
	members.tripod.com /~RedAndr/bench (1097 words)

	Computational Chemistry at NCSA
		GAMESS is a general purpose ab initio electronic structure package that is capable of computing energies, geometries, vibrational frequencies, transition states, excited states, and a variety of one-electron properties based on various uncorrelated and correlated wavefunctions.
		GAMESS is available to all NCSA users on the SGI/CRAY ORIGIN 2000 (modi4.ncsa.uiuc.edu).
		A special script (/usr/local/bin/qgamess) is available to execute GAMESS in interactive or batch mode.
	www.ncsa.uiuc.edu /UserInfo/Resources/Software/CHEM/gamess.html (106 words)

	GAMESS Documentation
		History of GAMESS GAMESS was put together from several existing quantum chemistry programs, particularly HONDO, by the staff of the National Resources for Computations in Chemistry.
		This was adapted to GAMESS at ISU by Graham Fletcher in 1999.
		This code was incorporated into GAMESS by Dmitri Fedorov at Iowa State University in 1997, who generalized the spin-orbit coupling matrix element code generously provided by Thomas Furlani (restricted to an active space of two electrons in two orbitals), with assistance from visits to ISU by Thomas Furlani and Shiro Koseki.
	phoenix.liu.edu /~nmatsuna/gamess/gamess.doc.html (7114 words)

	[No title]
		GAMESS was adapted to the VAX vector 6000 and 9000 systems by Chuck Schneider of Digital in Maynard.
		GAMESS is installed at the Alabama, Illinois (NCSA), Minnesota, North Carolina, Ohio, Pittsburgh, San Diego, and Texas Cray supercomputer centers.
		GAMESS has not been tested on an FPS in quite a while, so there may be compile errors.
	www.csrd.uiuc.edu /benchmark/gamess/IRON.DOC (5664 words)

	Computational Chemistry at CSRSRC - GAMESS
		GAMESS (General Atomic and Molecular Electronic Structure System) is a general purpose ab initio electronic structure package that is capable of computing energies, geometries, vibrational frequencies, transition states, excited states, and a variety of one-electron properties based on various uncorrelated and correlated wavefunctions.
		The current version that is supported at CSRSRC is GAMESS "6 May 1998".
		This version of GAMESS is described in: M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.J.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J.Comput.Chem.
	www.istm.cnr.it /csrsrc/sw_gamess.html (274 words)

	Advanced Biomedical Computing Center:GAMESS infomation
		GAMESS is a program for ab initio quantum chemistry.
		The command to launch GAMESS is: /usr/local/fbscapp/gamess/runmgs input_file num_processors output_file (output_file is optional).
		Keep in mind, that GAMESS jobs should be executed via batch system.
	www.abcc.ncifcrf.gov /app/htdocs/appdb/appinfo.php?appname=GAMESS (244 words)

	Gamess Tutorials (Site not responding. Last check: )
		A Gamess tutorial made by S. Gordon from Iowa University give a good overview of Gamess and explain how to use it.
		This section is composed by a rigurous explanation of the different part of the output file of Gamess.
		Gamess punch out a data file containing the data regarding the computation and the data specified by the user in the input file.
	www.baldridge.unizh.ch /education/gamess/index.html (335 words)

	gamess/ddi/readme.ddi - view - 1.1.1.1
		The portions of GAMESS which use distributed data will store most of their data in this distributed fashion, but some portions of GAMESS which do not need such large memory do not need these arrays (and MEMDDI=0 can be used to specify this).
		To that point, GAMESS was therefore a replicated memory parallel program, of ordinary type.
		The GAMESS processes, whether functioning as compute processes or as data servers, are started up by the kickoff program, ddikick.x.
	cvs.rocksclusters.org /viewcvs/viewcvs.cgi/gamess/ddi/readme.ddi?rev=1.1.1.1&content-type=text/vnd.viewcvs-markup (5029 words)

	My Gamess Page
		Gamess under Linux (PC or Alpha) FAQ or HOWTO.
		There are a few junk lines at the end of each section, due to the way the file is split.
		Here is a small archive of Gamess related stuff on other e-mail lists, but it is rather old.
	lacebark.ntu.edu.au /gamess (169 words)

	GAMESS — EGEE
		GAMESS - The General Atomic and Molecular Electronic Structure System is a general ab initio quantum chemistry package maintained by the members of the Gordon research group at Iowa State University.
		Anyone who would like to obtain it's sources or binaries is requested to register at GAMESS web page.
		A detailed information concerning GAMESS input can be found in manual.
	egee.grid.cyfronet.pl /Applications/gamess (334 words)

	c29b2 gamess-uk.doc
		This method is based on the interface to the GAMESS (US version), the latter being an extension of the QUANTUM code which is described in J. Comp.
		The GAMESS QM potential is initialized with the GAMEss command.
		Example for the GAMESS input follows: ----------------------------------------------------------------------------- core 5000000 chm append chm noatompr chm offset 100 title qm region for charmm charge 0 adapt off nosym noprint distance analysis basis 6-31g scftype rhf runtype gradient vectors atoms enter 1 The above is for 6-31G calculation of any neutral molecule.
	www.uwm.edu /People/dxie/Charmm/c29b2/gamess-uk.html (1130 words)

	MCSR
		The GAMESS installation package is made very generic; To be installed across multiple platforms and operating systems and also so that we can use the compilers we desire to build it.
		These changes were obtained from the Portland gourp website for help with compiling GAMESS In the instructions, certain line numbers at which changes are requested may be approximate but not accurate, so you will have to look around to find the exact location at which to make the changes.
		This could be because something failed when trying to convert GAMESS from the generic form to the form specific to our purpose, we have also documented how we overcame those errors.
	www.mcsr.olemiss.edu /educationsubpage.php?pagename=gamess_6.inc&menu=vMBGAMESS.inc (1087 words)

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